SCHEMBL3469152

SCHEMBL3469152

Nc1ccc2c(c1)[C@]1(OCCC(CCF)O1)C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX2 P34913 1/20 0.31
CA9 Q16790 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3478615 0.81 KMT2A (0.41) KMT2APOLBMEN1GAAMAPK1
SCHEMBL5314641 0.78 KMT2A (0.67) KMT2APOLBMEN1GAAMAPK1
SCHEMBL13196418 0.76 GAA (0.62) KMT2APOLBMEN1GAAMAPK1
SCHEMBL3467484 0.72 KMT2A (0.43) KMT2APOLBMEN1GAAMAPK1
SCHEMBL3468905 0.70 BRD4 (0.39) KMT2A
SCHEMBL14389908 0.68 KMT2A (0.52) KMT2APOLBMEN1GAAMAPK1
SCHEMBL3468222 0.64 KMT2A (0.35) KMT2APOLBMEN1GAAMAPK1
SCHEMBL2154996 0.64 KMT2A (1.00) KMT2APOLBMEN1GAAMAPK1
SCHEMBL5185805 0.63 IDO1 (0.43) KMT2APOLBMEN1GAAMAPT
SCHEMBL3467415 0.62 KMT2A (0.45) KMT2APOLBMEN1GAAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed